data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Bindi L'
'Downs R T'
'Harlow G E'
'Safonov O G'
'Litvin Y A'
'Perchuk L L'
'Uchida H'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 802
_journal_page_last 808
_publ_section_title
;
 Compressibility of synthetic potassium-rich clinopyroxene:
 In situ high-pressure single-crystal X-ray study
 Sample: 939-1, P = 8.11 GPa
;
_database_code_amcsd 0004151
_chemical_formula_sum '(Ca.88 K.12) Mg.83 Al.19 Si1.98 O6'
_cell_length_a 9.5089
_cell_length_b 8.6937
_cell_length_c 5.1545
_cell_angle_alpha 90
_cell_angle_beta 105.344
_cell_angle_gamma 90
_cell_volume 410.921
_exptl_crystal_density_diffrn      3.505
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca2   0.00000   0.30530   0.25000   0.88000   0.01077
K2   0.00000   0.30530   0.25000   0.12000   0.01077
Mg1   0.00000   0.90910   0.25000   0.83000   0.00798
Al1   0.00000   0.90910   0.25000   0.17000   0.00798
Si   0.28630   0.09470   0.22470   0.99000   0.00684
Al   0.28630   0.09470   0.22470   0.01000   0.00684
O1   0.11360   0.08530   0.13850   1.00000   0.01203
O2   0.35940   0.25660   0.31550   1.00000   0.01241
O3   0.35290   0.02070   0.98730   1.00000   0.01026